Тип публикации: статья из журнала
Год издания: 2008
Идентификатор DOI: 10.1103/PhysRevB.77.235417
Аннотация: The electronic band structure and energetic stability of two types of oriented silicon nanowires terminated by hydrogen atoms are studied using the density functional theory. The nanowires truncated from the bulk silicon with [100] and [111] facets and the pentagonal star-shaped nanowires with [111] facets have the lowest cohesive energies, whereas the hexagonal star-shaped ones are the highest in energy. The star-shaped nanowires have the lowest band gaps with direct and indirect transitions for pentagonal and hexagonal types, respectively. Based on the theoretical results, an interpretation of existing experimental data has been provided.
Издание
Журнал: PHYSICAL REVIEW B
Выпуск журнала: Vol. 77, Is. 23
Номера страниц: 235417
ISSN журнала: 10980121
Место издания: COLLEGE PK
Издатель: AMER PHYSICAL SOC
Персоны
- Sorokin P.B. (Emanuel Institute of Biochemical Physics,Russian Academy of Sciences)
- Kvashnin A.G. (Siberian Federal University)
- Kvashnin D.G. (Siberian Federal University)
- Ovchinnikov S.G. (Kirensky Institute of Physics,Russian Academy of Sciences,Akademgorodok)
- Fedorov A.S. (Kirensky Institute of Physics,Russian Academy of Sciences,Akademgorodok)
- Avramov P.V. (Fukui Institute for Fundamental Chemistry,Kyoto University)
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